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(Q77564297)
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English
Boydine A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5,15-Dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,16,18-tetraene-2,12-dione
1 reference
based on heuristic
inferred from SMILES
mass
418.102099184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₂N₂O₄S₂
0 references
canonical SMILES
O=C1N2C3C(=CC=CC3O)CC2(SC)C(=O)N4C5C(=CC=CC5O)CC14SC
0 references
isomeric SMILES
CS[C@@]12CC3=CC=C[C@@H]([C@H]3N1C(=O)[C@@]4(CC5=CC=C[C@@H]([C@H]5N4C2=O)O)SC)O
0 references
found in taxon
Pseudallescheria boydii
1 reference
stated in
Antibacterial epipolythiodioxopiperazine and unprecedented sesquiterpene from Pseudallescheria boydii, a beetle (coleoptera)-associated fungus
Identifiers
InChI
InChI=1S/C20H22N2O4S2/c1-27-19-9-11-5-3-7-13(23)15(11)21(19)18(26)20(28-2)10-12-6-4-8-14(24)16(12)22(20)17(19)25/h3-8,13-16,23-24H,9-10H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
0 references
InChIKey
YZIXVRLPOWUHSZ-PSJNWGMYSA-N
2 references
stated in
PubChem
PubChem CID
139587360
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587360
language of work or name
English
PubChem CID
139587360
2 references
stated in
PubChem
PubChem CID
139587360
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YZIXVRLPOWUHSZ-PSJNWGMYSA-N
ChEBI ID
216423
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H22N2O4S2/c1-27-19-9-11-5-3-7-13(23)15(11)21(19)18(26)20(28-2)10-12-6-4-8-14(24)16(12)22(20)17(19)25/h3-8,13-16,23-24H,9-10H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
UniChem compound ID
170910505
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015301
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YZIXVRLPOWUHSZ-PSJNWGMYSA-N
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